CID 379124

Nsc663400

Structural Information

Molecular Formula
C11H16NO4P
SMILES
CCOP(=O)(C(CC1=CC=CO1)C#N)OCC
InChI
InChI=1S/C11H16NO4P/c1-3-15-17(13,16-4-2)11(9-12)8-10-6-5-7-14-10/h5-7,11H,3-4,8H2,1-2H3
InChIKey
BUAJNNUBCLUMGD-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-3-(furan-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0817 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08898 153.3
[M+Na]+ 280.07092 161.5
[M-H]- 256.07442 155.5
[M+NH4]+ 275.11552 169.2
[M+K]+ 296.04486 161.3
[M+H-H2O]+ 240.07896 138.7
[M+HCOO]- 302.07990 176.7
[M+CH3COO]- 316.09555 205.0
[M+Na-2H]- 278.05637 155.8
[M]+ 257.08115 154.7
[M]- 257.08225 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.